This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
External Descriptors
Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Insoluble in water; miscible with ether, chloroform, and ethanol
Índice de refração
1.441
Ponto de inflamação (°F)
233.6 °F
Ponto de inflamação (°C)
112 °C
Ponto de ebulição (°C)
175°C/14mmHg
Peso molecular
122.170 g/mol
XLogP3
0.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
122.084 Da
Monoisotopic Mass
122.084 Da
Topological Polar Surface Area
47.600 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
125.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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Revisões
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Perguntas frequentes
What is the purity of this product?
This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at room temperature.
How is this product shipped?
This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 646-20-8, the molecular formula is C7H10N2, and the molecular weight is 122.17 g/mol. InChIKey LLEVMYXEJUDBTA-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.
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